6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H16N4O4 — CID 2940292

IUPAC6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2[N+](=O)[O-])NC(=O)N1
InChIInChI=1S/C18H16N4O4/c1-11-15(17(23)20-12-7-3-2-4-8-12)16(21-18(24)19-11)13-9-5-6-10-14(13)22(25)26/h2-10,16H,1H3,(H,20,23)(H2,19,21,24)
InChIKeyKIPYWUZZUCRLHD-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.86
Rot. Bonds4

About 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2940292) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2940292
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2[N+](=O)[O-])NC(=O)N1
InChIInChI=1S/C18H16N4O4/c1-11-15(17(23)20-12-7-3-2-4-8-12)16(21-18(24)19-11)13-9-5-6-10-14(13)22(25)26/h2-10,16H,1H3,(H,20,23)(H2,19,21,24)
InChIKeyKIPYWUZZUCRLHD-UHFFFAOYSA-N
XLogP2.86
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2940292) is 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2[N+](=O)[O-])NC(=O)N1.
What is the InChIKey of 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is KIPYWUZZUCRLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11-15(17(23)20-12-7-3-2-4-8-12)16(21-18(24)19-11)13-9-5-6-10-14(13)22(25)26/h2-10,16H,1H3,(H,20,23)(H2,19,21,24).
What are the key properties of 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2940292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).